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    [热点] 纳米粒子粒径的测量 枝上柳绵吹又少 2026-01-15 刚刚
    【求助】有关autodock的问题？ (6/584) gwdavid 2008-07-09 2008-07-13 22:31:31 by gwdavid
    ［求助］PyMol能计算出结合自由能么？ (2/279) gwdavid 2008-07-13 2008-07-13 22:30:32 by gwdavid
    [求助]关于AutoDock (1/137) gwdavid 2008-07-13 2008-07-13 22:30:06 by gwdavid
    [ChemOff ] 从chemoffice导入GV (评阅-2) (2/207) wjxu_59 2008-07-12 2008-07-13 17:51:14 by xuexiaosong
    【求助】PyMol v1.0    ( 1 2 ) (10/879) DrLiu 2008-06-18 2008-07-13 17:37:56 by alwens
    [Gaussian] 【求助】怎么读Guassian中Ovgf计算的轨道电离能？ 1 (0/304) ouyang223 2008-07-13 2008-07-13 09:57:11 by ouyang223
    【求助】Amber 的Xleap 遇到的问题 (1/168) panhuairen 2008-07-11 2008-07-12 22:44:15 by xxffliu
    [Gaussian] 【求助】请教一个计算溶剂对反应影响的问题 (2/162) majun04 2008-07-12 2008-07-12 20:54:46 by majun04
    【求助】求书，请有的虫友去版里应助 (0/84) dellus 2008-07-12 2008-07-12 18:14:49 by dellus
    [Gaussian] ［求助］二价Ni的基态多重度 (2/170) lllswy 2008-07-12 2008-07-12 12:35:37 by hairan
    [Gaussian] 《求助》一个非常严重的错误，不知怎么解决 (4/399) xiaoboy185 2008-07-04 2008-07-12 10:00:32 by xiaoboy185
    【求助】insightII上的X Y Z 轴的the moment of inertia怎么得到？ (3/175) 头头 2008-07-10 2008-07-12 08:05:56 by 头头
    [Gaussian] [求助]gaussian计算偶极矩时，方向如何定？ 5 (0/381) hbnuwangshuling 2008-07-12 2008-07-12 08:03:29 by hbnuwangshuling
    [Gaussian] [求助]单重态优化失败 (0/76) lllswy 2008-07-11 2008-07-11 21:17:12 by lllswy
    [Gaussian] [求助]没有虚频，结构一定合理？ (6/420) 36du 2008-07-09 2008-07-11 17:33:28 by hairan
    [Gaussian] 【求助成功】自旋多重度的选择 (评阅+3) (4/529) yzhhlq_1983 2008-07-11 2008-07-11 17:24:10 by hairan
    [Gaussian] 【求助】结果有两个NO，这样的结果可采用吗？ 2 (2/134) qktscdx 2008-07-10 2008-07-11 10:42:12 by yuhuobuku
    [Gaussian] [求助] 高斯03 用b3lyp/6-31g(d) opt 优化分子结构时加对称与取消对称性的区别 (2/217) ZhangXH 2008-07-10 2008-07-11 10:10:30 by mengsk
    【求助】请问有序参数怎么计算 2 (3/460) qlzhang 2008-06-28 2008-07-11 08:08:54 by issp-hao
    Gromacs的DEMO教程中文版 (0/764) gromacs 2008-07-10 2008-07-10 16:49:07 by gromacs
    Gromacs MDP File 模板 (0/144) gromacs 2008-07-10 2008-07-10 16:47:54 by gromacs
    [Gaussian] 【求助】linux下能否读取win下计算生成的chk文件 (0/98) tangsw911 2008-07-10 2008-07-10 15:20:19 by tangsw911
    [Gaussian] [求助]重金求Gaussianview for Linux版 (9/786) chshengyao 2008-06-09 2008-07-10 12:23:27 by zsh7581755
    [Gaussian] [求助]Guassian 怎么得到束缚能? (4/158) ouyang223 2008-07-09 2008-07-10 11:31:05 by wxjbuilder
    请问怎么根据已有的monomer单体结构进行生成dimer (评阅-2) (1/91) az123 2008-07-10 2008-07-10 11:27:25 by xxffliu
    [Gaussian] 【求助】如何做出ZSM-5的46T模型 (4/369) tengqf 2008-07-09 2008-07-10 10:26:23 by tengqf
    【求助】有用sybyl7.2的吗 安装文体求帮助 我搞不定啊 (6/510) foradun 2008-07-08 2008-07-09 22:42:57 by snoopyzhao
    [Gaussian] [求助]消旋化合物稳定性和比例 14 (3/277) abcme910 2008-07-07 2008-07-09 22:14:32 by hairan
    [Gaussian] 【求助】高斯中给出的分子轨道 (2/216) xieqingsky 2008-07-04 2008-07-09 20:30:29 by xieqingsky
    [Gaussian] 【求助】关于溶剂效应（PCM模型） (7/606) Sunny608 2008-01-13 2008-07-09 20:27:44 by xieqingsky
    [Gaussian] 【求助】 加大基组时，结构跑散 2 (1/100) hjg9 2008-07-09 2008-07-09 20:22:11 by jghe
    [Gaussian] [求助]如何计算分子的亲和力和结合能 (3/1388) lcl211 2008-07-09 2008-07-09 19:54:38 by tpp001
    【求助】这样的图形用什么方法可以画出？    ( 1 2 3 ) (21/1273) simple299 2008-05-31 2008-07-09 17:18:18 by wuli8
    [求助]如何在Hyperchem中计算分子的三维尺寸？ (4/481) renwenpo 2008-01-10 2008-07-09 16:21:24 by renwenpo
    [Gaussian] 【求助】激发态计算出错了(完成） 3 (2/208) wanshidaji 2008-07-09 2008-07-09 15:20:09 by wanshidaji
    （求助）用MONTE CARLO 模拟计算 (1/187) tanghd 2008-07-05 2008-07-09 08:48:11 by tanghd
    [Gaussian] 【求助】用高斯怎么计算扭转能曲线 6 (2/182) loser2007 2008-07-08 2008-07-09 07:06:11 by cccwater
    [Gaussian] [求助] 三价的稀土Yb计算的不能进行    ( 1 2 ) (18/641) lixiaona158 2008-07-02 2008-07-08 22:53:13 by lixiaona158
    [Gaussian] [求助] 优化出错 8 (2/135) loser2007 2008-07-07 2008-07-08 22:23:54 by hairan
    [Gaussian] 【求助】计算限制对称性后出现虚频怎么回事！！ (8/646) python222 2008-07-03 2008-07-08 22:21:31 by hairan
    [Gaussian] 【求助】+【有效期至2008年07月09日】高斯算激发态出错 (4/214) flyinsky878 2008-07-07 2008-07-08 22:12:57 by hairan
    [Gaussian] [求助]gaussian计算BSSE过程的错误L301－－电荷与自旋多重度 (6/887) 36du 2008-07-05 2008-07-08 19:00:42 by 36du
    [Gaussian] 【求助】向大家请教两个名词 (5/436) 皓儿165 2008-06-02 2008-07-08 18:31:32 by coolrainbow
    [Gaussian] [求助] (10s5p/3s2p) 用在C 上表示什么基组? (0/114) lixiaona158 2008-07-08 2008-07-08 18:23:41 by lixiaona158
    [Gaussian] [求助] (10s5p/3s2p) 用在C 上表示什么基组? (1/104) lixiaona158 2008-07-04 2008-07-08 12:34:16 by lixiaona158
    [Gaussian] 【求助】高斯输出结果分析问题 (0/158) lcl211 2008-07-07 2008-07-07 20:42:02 by lcl211
    [Gaussian] 不好意思，Gaussian群号正确的是65332627 (0/83) txf8378 2008-07-07 2008-07-07 17:53:39 by txf8378
    [Gaussian] 求助 用Gaussian可不可以计算以下方程的△G (8/417) 小凤儿 2008-07-05 2008-07-07 17:38:19 by 小凤儿
    [Gaussian] 【求助】BSSE基组重叠误差校正，输入格式，分子说明部分    ( 1 2 ) (10/1234) 36du 2008-07-04 2008-07-07 16:59:05 by lihb734
    [Gaussian] [求助】 计算吸收光谱的时候第一吸收波长特别大怎么办 (7/400) lixiaona158 2008-07-03 2008-07-07 13:26:16 by lixiaona158
    分子模拟文献    ( 1 2 ) (评阅+2) (11/781) yunji821 2008-04-11 2008-07-07 09:38:22 by xyz007
    [Gaussian] [求助]C30卡宾三叶结分子结构（已完成） 10 (0/104) sunmuer 2008-07-07 2008-07-07 08:58:53 by sunmuer
    [Gaussian] [求助] 关于表面的优化！！！ 2 (0/112) zjy1818 2008-07-06 2008-07-06 22:33:58 by zjy1818
    [Gaussian] [专家] gaussian03的几个已知bug (10/722) beefly 2008-06-24 2008-07-06 18:01:12 by hairan
    [Gaussian] [讨论]Tn→S0的发射性质 (3/281) 木头harry 2008-07-05 2008-07-06 09:18:57 by lixiaona158
    [Gaussian] 【求助】如何在一个体系内设置不同的基组 3 (2/142) qktscdx 2008-07-03 2008-07-06 08:59:22 by yuhuobuku
    [Gaussian] 算NMR以TMS为标准，从.out文应读标准数据 (2/225) gaohongmei128 2008-07-03 2008-07-06 08:46:09 by 百合189
    ［求助］电荷问题 (1/99) cloudsea163 2008-07-05 2008-07-05 15:57:12 by rainbot
    [Gaussian] 计算发射光谱为什么轨道跃迁是从低到高的顺序 3 (1/187) 木头harry 2008-07-05 2008-07-05 12:34:21 by lixiaona158
    [Gaussian] [求助]计算红外光谱的表示 (2/154) tsihu 2008-07-04 2008-07-05 10:43:17 by tsihu
    [Gaussian] [求助]计算发射光谱时进行激发态T1的优化,需要改自旋多重度 3 (5/583) 木头harry 2008-07-04 2008-07-05 08:26:35 by 木头harry
    [Gaussian] 【求助】gaussian如何验证热失重的结果 (2/104) zhangrobber 2008-07-02 2008-07-04 21:04:36 by zhangrobber
    [Gaussian] [求助]振子强度与跃迁能的关系 (1/192) tsihu 2008-07-04 2008-07-04 20:04:36 by jghe
    [Gaussian] [求助]ONIOM方法? (7/805) zhangji3013 2008-06-11 2008-07-04 14:56:05 by zhangji3013
    [Gaussian] 【求助】请问文章发表时Gauss03的版权问题    ( 1 2 ) 3 (11/1262) kaluoyi2008 2008-06-28 2008-07-04 14:04:58 by lixiaona158
    [Gaussian] 关于势能面扫描的问题 2 (6/1218) 淡如水 2008-07-03 2008-07-04 13:39:13 by 淡如水
    [Gaussian] 【求助】频率计算中提示WARNING (1/134) majun04 2008-07-03 2008-07-04 09:25:57 by yuhuobuku
    [Gaussian] [求助]怎样在GaussianView里复制分子构型 (5/2678) sophy8069 2008-07-03 2008-07-04 09:21:34 by sophy8069
    [Gaussian] 高斯软件自带得溶剂模型具体有那些种溶剂 (4/1018) ZhangXH 2008-07-02 2008-07-03 20:56:51 by libaozhen
    [Gaussian] 哪里下载swizard作图软件啊 (2/238) ZhangXH 2008-07-02 2008-07-03 20:35:58 by libaozhen
    【求助】关于amber 里好像是加氢出错的 (2/130) jissrain 2008-07-02 2008-07-03 17:18:54 by tecpenguin
    [Gaussian] 【求助】opt，restart重新计算的连接错误 (3/1185) 36du 2008-07-02 2008-07-03 17:11:11 by tsihu
    [求助]二面角的类型 (2/163) suny2005 2008-07-01 2008-07-03 13:57:19 by tecpenguin
    [Gaussian] 【求助】guassian view (2/339) wen_zhang 2008-07-01 2008-07-03 10:16:57 by 虚谦
    请教一个问题。 (0/75) deadbook 2008-07-03 2008-07-03 09:22:04 by deadbook
    【完成】rdf（径向分布函数）的分析 8 (5/940) gamma337 2008-06-29 2008-07-03 08:57:50 by hanyd
    A Recipe for Performing Molecular Dynamics Simulations with GROMACS (1/135) qugm110 2008-07-01 2008-07-03 06:28:46 by jlp315
    [求助]利用dlpoly的结果如何求密度 (1/149) jingyybuaa 2008-05-22 2008-07-02 21:01:22 by chenyx329
    [求助] XMD计算出的rdf怎么转换成pcf (0/256) ustbmars 2008-07-02 2008-07-02 16:21:55 by ustbmars
    [Gaussian] [求助]g03双核运行问题 (6/454) lcl211 2008-06-30 2008-07-02 16:00:58 by lcl211
    [Gaussian] 【求助】gaussview打不开 .chk 文件 (3/979) zhaohuxian 2008-06-30 2008-07-02 14:26:54 by lixiaona158
    【求助】如何查看autodock的对接结果 (评阅-2) (3/507) lifei_dut 2008-06-27 2008-07-02 10:31:39 by lifei_dut
    [Gaussian] 已经解决，多谢了 (9/740) alwens 2008-06-30 2008-07-02 10:03:35 by alwens
    ［求助］分子势能面的各种不同颜色代表什么 (0/183) gwdavid 2008-07-02 2008-07-02 09:37:03 by gwdavid
    [Gaussian] [求助】NBO5.0运算后得到,得到*.47文件，但好像非正常结束 (6/309) spring965 2008-06-26 2008-07-02 09:26:27 by spring965
    哪位大虾有MOPAC下载? (0/191) kzx_33 2008-07-02 2008-07-02 09:17:08 by kzx_33
    [Gaussian] 【求助】两个较大虚频，是不是都要去呢？ (6/615) kathy2008 2008-06-29 2008-07-01 21:33:05 by kathy2008
    [Gaussian] 【求助】优化总是出现这样的问题。 已完成 2 (2/198) wanshidaji 2008-07-01 2008-07-01 16:28:44 by wanshidaji
    [求助]二面角参数格式的转化 (0/114) suny2005 2008-07-01 2008-07-01 15:19:36 by suny2005
    关于分子模拟 (4/486) berylqian 2007-10-11 2008-07-01 15:15:35 by sduzl
    【求助】有没有做抗原抗体之间分子模拟的？ (评阅-2) (3/288) jallent 2008-06-30 2008-07-01 12:23:18 by jallent
    【求助】分子模拟的结构分析技术 7 (5/526) gamma337 2008-05-31 2008-07-01 09:26:06 by lei0736
    [求助] TBMD (8/503) qwe1997 2008-06-21 2008-07-01 07:40:58 by jyki
    [Gaussian] [求助]在Gaussian计算中怎么设置批处理任务 (4/326) xiekf1985 2008-06-29 2008-06-30 22:34:17 by xiekf1985
    [Gaussian] 【求助】怎么在Gaussian中固定部分参数 (2/142) xiekf1985 2008-06-27 2008-06-30 22:29:45 by xiekf1985
    【求助】关于NH4F在溶液中的分布 (0/100) maike01 2008-06-30 2008-06-30 21:44:59 by maike01
    [求助]不知用何软件可以分析一个晶体结构的键角分布？ (0/142) liangw 2008-06-30 2008-06-30 16:21:09 by liangw
    [Gaussian] 【求助】计算频率校正因子 (2/314) majun04 2008-06-28 2008-06-30 15:06:24 by majun04
    [Gaussian] [求助]如何看优化opt过程中能量收敛情况，在线等。。。谢谢 (3/365) 36du 2008-06-30 2008-06-30 14:41:59 by gaochao85
    [Gaussian] [求助]在gaussianview中怎样输入分子构型 (5/463) dengwei_19 2008-06-29 2008-06-30 13:30:23 by dengwei_19
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